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La estructura electrónica y la lenta relajación magnética de los complejos de hierro estabilizado de
Prinson P Samuel1, Kartik Chandra Mondal, Nurul Amin Sk
1Institut für Anorganische Chemie, Georg-August-Universität , Tammannstrasse 4, D-37077, Göttingen, Germany.
Journal of the American Chemical Society
|July 30, 2014
Resumen
Los nuevos complejos de hierro (((I) estabilizados por alquil (((amino)) carbenos cíclicos exhiben propiedades de imanes de una sola molécula. Estos hallazgos avanzan en la comprensión de la química del hierro de baja valencia y los materiales magnéticos.
Área de la Ciencia:
- Química Inorgánica La Química Inorgánica es la química inorgánica.
- Ciencia de los materiales Ciencia de los materiales.
- Química cuántica es la química cuántica.
Sus antecedentes:
- Los complejos de hierro de baja valencia son de gran interés debido a sus estructuras electrónicas únicas y sus aplicaciones potenciales.
- Los alquil ((amino) carbenos cíclicos (cAAC) son ligandos versátiles capaces de estabilizar estados inusuales de oxidación de los metales.
Objetivo del estudio:
- Para sintetizar y caracterizar nuevos complejos Fe (I) de dos y tres coordenadas estabilizados por ligandos cAAC.
- Para investigar las propiedades magnéticas y la estructura electrónica de estos compuestos Fe (I).
- Para explorar su potencial como imanes de una sola molécula.
Principales métodos:
- Síntesis de los complejos (cAAC) 2FeCl y [(cAAC) 2Fe][B(C6F5) ].
- Mediciones de la susceptibilidad magnética.
- Espectroscopia de Mössbauer. también conocida como espectroscopia de Mössbauer.
- Espectroscopia de resonancia paramagnética de electrones de alta frecuencia (EPR, por sus siglas en inglés).
- Cálculos desde el principio (CASSCF/CASPT2/RASSI-SO) utilizando MOLCAS.
Principales resultados:
- La caracterización confirmó el estado de oxidación Fe ((I) y un estado básico de espín S = 3/2 para ambos complejos.
- Ambos compuestos exhibieron una lenta relajación magnética, característica del comportamiento del imán de una sola molécula bajo un campo magnético de CC aplicado.
- Las mediciones de EPR revelaron una división de campo cero grande y positiva (∼20.4 cm(-1)) y una fácil anisotropía de plano para el compuesto 2.
- Los cálculos teóricos apoyaron los hallazgos experimentales con respecto a la estructura electrónica y las propiedades magnéticas.
Conclusiones:
- El estudio preparó y caracterizó con éxito nuevos complejos Fe ((I) estabilizados por ligandos cAAC.
- Estos complejos demuestran el comportamiento del imán de una sola molécula, atribuido a su estado fundamental S = 3/2 y una división significativa del campo cero.
- Los hallazgos contribuyen al desarrollo de materiales magnéticos moleculares y profundizan la comprensión de la química del hierro de baja valencia.
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